3-[4-azanyl-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-azanyl-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-(1-phenylcyclopropyl)-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-(1-phenylcyclopropyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C22H16N4S MolecularWeight: 368.45424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C3=CC4=C(N=C(N=C4S3)C5=CC=CC(=C5)C#N)N

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C3=CC4=C(N=C(N=C4S3)C5=CC=CC(=C5)C#N)N

InChI

InChI=1S/C22H16N4S/c23-13-14-5-4-6-15(11-14)20-25-19(24)17-12-18(27-21(17)26-20)22(9-10-22)16-7-2-1-3-8-16/h1-8,11-12H,9-10H2,(H2,24,25,26)